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Purity: ≥98%
MMP-9-IN-1 is a novel, potent and selective matrix metalloproteinase-9 (MMP-9) inhibitor that works by lowering cell migration and proliferation to stop tumor growth and metastasis. It was found using an in silico docking method, and biological and biochemical methods were used to assess it. MMP-9-IN-1 only attaches itself to the PEX domain of MMP-9; it does not attach to other MMPs. The disruption of MMP-9 homodimerization and subsequent blockade of a downstream signaling pathway necessary for MMP-9-mediated cell migration are the outcomes of this interaction between MMP-9-IN-1 and the PEX domain. In an MDA-MB-435 tumor xenograft model, MMP-9-IN-1 suppressed lung metastasis and slowed tumor growth.
| Targets |
MMP-9 (Kd = 2.1 μM)
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|---|---|
| ln Vitro |
MMP-9-IN-1 (compound 2; 100 μM; 14 hours) does not cause notable cytotoxicity[1].
MMP-9-IN-1 (compound 2; 10 μM) significantly prevents MDA-MB-435 and HT-1080 cells from proliferating[1]. |
| ln Vivo |
MMP-9-IN-1 (compound 2; 20 mg/kg; intraperitoneal and intratumoral injection alternately; 6 days/week; for 14 weeks) causes a significant tumor growth delay in NCR-Nu mice that have an MDA-MB-435/GFP tumor[1].
MMP-9-IN-1 inhibits cancer cell metastasis in vivo[1].
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| Animal Protocol |
4-5 week-old female NCR-Nu mice bearing MDA-MB-435/GFP tumor[1]
20 mg/kg Intraperitoneal and intratumoral injection alternately; 6 days/week; for 14 weeks, |
| References |
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| Additional Infomation |
MMP-9-IN-1 is a secondary carboxamide resulting from the formal condensation of the carboxy group of [(4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetic acid with the amino group of 4-(difluoromethoxy)aniline. It is a specific matrix metalloproteinase-9 (MMP-9) inhibitor. It has a role as an EC 3.4.24.35 (gelatinase B) inhibitor and an antineoplastic agent. It is an organofluorine compound, an aromatic compound, a pyrimidone, an organic sulfide and a secondary carboxamide.
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| Molecular Formula |
C16H17N3O3F2S
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|---|---|
| Molecular Weight |
369.386
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| Exact Mass |
369.095
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| Elemental Analysis |
C, 52.03; H, 4.64; F, 10.29; N, 11.38; O, 12.99; S, 8.68
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| CAS # |
502887-71-0
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| Related CAS # |
502887-71-0
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| PubChem CID |
135415473
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| Appearance |
White to off-white solid powder
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| LogP |
3.2
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
25
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| Complexity |
547
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
OLTRRVUORWPRGF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H17F2N3O3S/c1-2-3-11-8-13(22)21-16(20-11)25-9-14(23)19-10-4-6-12(7-5-10)24-15(17)18/h4-8,15H,2-3,9H2,1H3,(H,19,23)(H,20,21,22)
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| Chemical Name |
N-[4-(difluoromethoxy)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
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| Synonyms |
MMP9-IN-1; MMP-9-IN-1; MMP-9-IN1; OUN87710; OUN 87710; OUN-87710
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: 66.7~74 mg/mL (180.5~200.3 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 5 mg/mL (13.54 mM) in 10% DMSO + 40% PEG300 50% PBS (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
Solubility in Formulation 2: ≥ 2.08 mg/mL (5.63 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7072 mL | 13.5358 mL | 27.0717 mL | |
| 5 mM | 0.5414 mL | 2.7072 mL | 5.4143 mL | |
| 10 mM | 0.2707 mL | 1.3536 mL | 2.7072 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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